CID 215540

35819-56-8

Structural Information

Molecular Formula
C17H18N3O
SMILES
C1=CC=C(C=C1)CC(CC2=CC=CC=C2)[N+]3=NOC(=C3)N
InChI
InChI=1S/C17H18N3O/c18-17-13-20(19-21-17)16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,13,16H,11-12,18H2/q+1
InChIKey
CAAKMRGLJVOXCT-UHFFFAOYSA-N
Compound name
3-(1,3-diphenylpropan-2-yl)oxadiazol-3-ium-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

280.145 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.15228 167.3
[M+Na]+ 303.13422 173.3
[M-H]- 279.13772 174.6
[M+NH4]+ 298.17882 179.3
[M+K]+ 319.10816 163.9
[M+H-H2O]+ 263.14226 159.8
[M+HCOO]- 325.14320 188.4
[M+CH3COO]- 339.15885 193.8
[M+Na-2H]- 301.11967 174.0
[M]+ 280.14445 165.4
[M]- 280.14555 165.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe